3QBT

crystal structure of ocrl1 540-678 in complex with rab8a:gppnhp

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 88
  • Norm. En. per Res.: -3.9921
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-70.0576	-36.3914	-240.825	-347.274	92	16	8	9640	7	31	37
A-F	-12.4544	-1.6533	-93.2908	-107.3986	46	16	0	4205	0	16	19
A-H	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
C-E	0.0	0.0	-0.0033	-0.0033	2	0	0	4	0	2	1
C-D	-77.6333	-41.2294	-231.099	-349.9617	92	16	8	9189	6	31	36
C-H	-26.2892	-2.115	-101.526	-129.9302	50	6	0	4357	0	18	20
E-B	-17.7879	-52.0132	-89.1055	-158.9066	50	5	0	3210	3	26	21
E-F	-88.5342	-40.1952	-222.579	-351.3084	88	10	9	8865	7	36	41
E-H	0.0	0.0	-0.6729	-0.6729	9	0	0	81	0	3	1
G-B	0.0	0.0	-0.0304	-0.0304	5	0	0	20	0	1	0
G-D	-9.8563	-20.4024	-84.4921	-114.7508	52	4	0	3438	1	25	21
G-H	-60.1046	-37.5605	-213.414	-311.0791	90	9	8	8722	5	37	42
B-F	0.0	0.0	-0.0458	-0.0458	8	0	0	18	0	1	1
B-H	-24.5462	45.9604	-157.653	-136.2388	66	6	3	5801	0	24	20
D-H	0.0	0.0	-0.131	-0.131	10	0	0	48	0	1	1
F-H	0.0	6.2086	-11.9621	-5.7535	20	0	0	656	0	10	10

Interface residues

• A-B: ALA65A, ALA76A, ARG27A, ARG48A, ARG552B, ARG556B, ARG569B, ARG56A, ARG570B, ARG663B, ARG69A, ARG71A, ASN559B, ASN606B, ASP31A, ASP44A, ASP549B, ASP555B, ASP560B, ASP607B, ASP63A, ASP655B, ASP662B, ASP666B, GLN60A, GLN67A, GLU159A, GLU30A, GLU51A, GLU558B, GLU571B, GLU654B, GLU68A, GLY42A, GLY664B, GLY66A, HIS109A, HIS660B, ILE38A, ILE41A, ILE43A, ILE47A, ILE50A, ILE553B, ILE57A, ILE602B, ILE61A, ILE656B, ILE671B, ILE73A, LEU25A, LEU562B, LEU567B, LEU59A, LEU605B, LEU657B, LEU659B, LEU661B, LEU669B, LEU8A, LYS46A, LYS58A, LYS604B, LYS665B, MET554B, MET557B, PHE163A, PHE26A, PHE28A, PHE45A, PHE561B, PHE572B, PHE668B, PHE70A, PRO563B, PRO603B, SER29A, SER39A, SER550B, SER564B, SER672B, THR40A, THR49A, THR64A, THR670B, THR72A, THR74A, THR75A, TRP62A, TYR667B, TYR77A, VAL658B
• A-F: ALA110A, ALA112A, ALA81A, ARG580F, ARG79A, ASN647F, ASP113A, ASP174A, ASP641F, ASP651F, GLU107A, GLU108A, GLU115A, GLU650F, GLY649F, GLY80A, GLY83A, HIS109A, ILE106A, ILE169A, ILE645F, LEU646F, LEU8A, LYS10A, LYS170A, LYS172A, LYS175A, LYS176A, LYS612F, LYS640F, MET173A, MET82A, PHE579F, PHE9A, PRO677F, SER111A, SER639F, SER648F, SER678F, THR644F, TYR675F, TYR78A, TYR7A, VAL114A, VAL638F, VAL643F
• A-H: ARG56A, MET557H
• C-E: LYS55C, LYS55E
• C-D: ALA32C, ALA65C, ALA76C, ARG27C, ARG48C, ARG552D, ARG556D, ARG569D, ARG56C, ARG570D, ARG663D, ARG69C, ARG71C, ASN559D, ASN606D, ASP31C, ASP44C, ASP549D, ASP555D, ASP560D, ASP607D, ASP63C, ASP655D, ASP662D, ASP666D, GLN60C, GLN67C, GLU159C, GLU30C, GLU51C, GLU558D, GLU571D, GLU654D, GLU68C, GLY42C, GLY664D, GLY66C, HIS109C, HIS660D, ILE38C, ILE41C, ILE43C, ILE47C, ILE50C, ILE553D, ILE57C, ILE602D, ILE61C, ILE656D, ILE671D, ILE73C, LEU25C, LEU562D, LEU567D, LEU59C, LEU605D, LEU657D, LEU659D, LEU661D, LEU669D, LEU8C, LYS46C, LYS58C, LYS604D, LYS665D, MET554D, MET557D, PHE163C, PHE26C, PHE28C, PHE45C, PHE561D, PHE668D, PHE70C, PRO563D, PRO603D, SER29C, SER39C, SER550D, SER672D, THR40C, THR49C, THR64C, THR670D, THR72C, THR74C, THR75C, TRP62C, TYR667D, TYR77C, VAL551D, VAL658D
• C-H: ALA110C, ALA112C, ALA81C, ARG580H, ARG79C, ASN105C, ASN647H, ASP113C, ASP174C, ASP641H, ASP651H, GLU107C, GLU108C, GLU650H, GLU654H, GLY649H, GLY80C, HIS109C, ILE106C, ILE169C, ILE645H, ILE653H, LEU646H, LEU676H, LEU8C, LYS10C, LYS172C, LYS175C, LYS176C, LYS612H, LYS640H, LYS652H, MET173C, MET82C, PHE579H, PHE9C, PRO677H, SER111C, SER639H, SER642H, SER648H, SER678H, THR644H, TRP614H, TYR675H, TYR78C, TYR7C, VAL114C, VAL638H, VAL643H
• E-B: ALA110E, ALA617B, ARG100E, ARG104E, ARG135E, ARG580B, ARG616B, ARG71E, ASN101E, ASN105E, ASN606B, ASP142E, ASP641B, ASP655B, ASP97E, CYS611B, GLN609B, GLU107E, GLU108E, GLU618B, GLU621B, GLU68E, HIS109E, ILE103E, ILE106E, LEU139E, LEU141E, LEU615B, LEU657B, LYS138E, LYS604B, LYS612B, LYS640B, PHE579B, PHE601B, PHE620B, PRO603B, PRO613B, SER608B, SER639B, SER642B, THR72E, THR75E, TRP102E, TRP614B, TYR143E, TYR610B, TYR637B, VAL638B, VAL643B
• E-F: ALA65E, ALA76E, ARG48E, ARG544F, ARG552F, ARG556F, ARG56E, ARG570F, ARG663F, ARG69E, ARG71E, ARG79E, ASN559F, ASN606F, ASP31E, ASP44E, ASP555F, ASP560F, ASP607F, ASP63E, ASP655F, ASP662F, ASP666F, GLN60E, GLN67E, GLU30E, GLU51E, GLU548F, GLU558F, GLU571F, GLU654F, GLU68E, GLY42E, GLY664F, GLY66E, HIS109E, HIS660F, ILE38E, ILE41E, ILE43E, ILE47E, ILE50E, ILE602F, ILE61E, ILE656F, ILE671F, ILE73E, LEU25E, LEU562F, LEU567F, LEU59E, LEU605F, LEU657F, LEU659F, LEU661F, LEU669F, LYS46E, LYS58E, LYS604F, LYS665F, MET554F, MET557F, PHE26E, PHE28E, PHE45E, PHE547F, PHE561F, PHE572F, PHE668F, PHE70E, PRO563F, PRO603F, SER29E, SER39E, SER564F, SER672F, THR40E, THR49E, THR64E, THR670F, THR72E, THR74E, THR75E, TRP62E, TYR667F, TYR77E, VAL551F, VAL658F
• E-H: ARG616H, ARG79E, GLU618H, GLU621H, LYS10E, LYS55E, LYS640H, PHE620H, PRO619H
• G-B: GLN594B, ILE47G, LYS58G, MET557B, PHE561B
• G-D: ALA110G, ALA617D, ARG100G, ARG104G, ARG135G, ARG580D, ARG616D, ARG71G, ASN101G, ASN105G, ASN606D, ASP142G, ASP607D, ASP641D, ASP655D, ASP97G, CYS611D, GLN609D, GLU107G, GLU108G, GLU134G, GLU618D, GLU621D, GLU68G, GLY136G, HIS109G, ILE103G, LEU139G, LEU141G, LEU615D, LEU657D, LYS138G, LYS612D, LYS640D, PHE579D, PHE601D, PHE620D, PHE96G, PRO603D, PRO613D, SER608D, SER639D, SER642D, THR72G, THR75G, TRP102G, TRP614D, TYR143G, TYR610D, TYR637D, VAL638D, VAL643D
• G-H: ALA65G, ALA76G, ARG48G, ARG544H, ARG552H, ARG556H, ARG56G, ARG570H, ARG663H, ARG69G, ARG71G, ASN559H, ASN606H, ASP31G, ASP44G, ASP555H, ASP560H, ASP607H, ASP63G, ASP655H, ASP662H, ASP666H, GLN60G, GLN67G, GLU159G, GLU30G, GLU51G, GLU548H, GLU558H, GLU571H, GLU654H, GLU68G, GLY42G, GLY54G, GLY664H, GLY66G, HIS109G, HIS660H, ILE38G, ILE41G, ILE43G, ILE47G, ILE50G, ILE57G, ILE602H, ILE61G, ILE656H, ILE671H, ILE73G, LEU25G, LEU562H, LEU567H, LEU59G, LEU605H, LEU657H, LEU659H, LEU661H, LEU669H, LEU8G, LYS46G, LYS58G, LYS604H, LYS665H, MET554H, MET557H, PHE26G, PHE28G, PHE45G, PHE547H, PHE572H, PHE668H, PHE70G, PRO563H, PRO603H, SER29G, SER39G, SER564H, SER672H, THR40G, THR49G, THR64G, THR670H, THR72G, THR74G, THR75G, TRP62G, TYR667H, TYR77G, VAL551H, VAL658H
• B-F: ARG663B, ASN606B, ASN606F, GLU621B, GLU650F, HIS598B, SER600B, SER608F
• B-H: ARG552B, ARG552H, ARG556B, ARG556H, ARG663B, ARG663H, ASN559B, ASN559H, ASN591B, ASN591H, ASN627B, ASN627H, ASP549H, ASP555B, ASP555H, ASP560B, ASP560H, ASP662B, ASP662H, CYS597B, CYS597H, GLN594B, GLN594H, GLU558B, GLU558H, GLU625B, GLU625H, GLU628B, GLU628H, GLY593H, GLY622H, GLY664H, HIS598B, HIS598H, HIS660H, ILE553B, ILE553H, LEU562B, LEU562H, LEU624B, LEU624H, LEU661B, LEU661H, MET554B, MET554H, MET557B, MET557H, PHE547H, PHE561B, PHE561H, PHE599H, PRO563B, PRO563H, PRO596B, PRO596H, PRO626B, PRO626H, SER550B, SER550H, TYR623B, TYR623H, VAL546H, VAL551B, VAL551H, VAL595B, VAL595H
• D-H: ARG663D, ASN606D, ASN606H, ASP607H, ASP662D, GLU650H, HIS598D, LYS652H, SER608H, TYR623D
• F-H: ARG663F, ASN606F, ASN627H, ASP607F, ASP662F, GLN609F, GLU625H, GLU628H, HIS598F, LEU582H, LEU605F, LEU624H, LYS584H, LYS586H, PRO603F, PRO626H, SER608F, THR629H, TYR623H, VAL630H